| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:13 UTC |
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| Update Date | 2025-03-21 18:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024815 |
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| Frequency | 156.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O3S2 |
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| Molecular Mass | 248.0289 |
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| SMILES | C=CCNC(=S)SCC(NC=O)C(=O)O |
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| InChI Key | POXTVNIZECMQRB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-formyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativesn-formyl-alpha-amino acidorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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